Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.48 |
| ▸ | PDE10A | Q9Y233 | 4/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | HTR3A | P46098 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL21363719 | 0.86 | CYP2A6 (0.50) | CYP1A2CYP2A6PDE10AATML3MBTL1 | |
| SCHEMBL3121339 | 0.85 | HTR2B (0.50) | CYP1A2CYP2A6PDE10AATML3MBTL1 | |
| SCHEMBL3119876 | 0.83 | CYP1A2 (0.46) | CYP1A2CYP2A6PDE10AATML3MBTL1 | |
| SCHEMBL3116975 | 0.83 | NPC1 (0.55) | CYP1A2CYP2A6PDE10AATML3MBTL1 | |
| SCHEMBL17664092 | 0.83 | HSP90AB1 (0.47) | CYP1A2CYP2A6PDE10AATML3MBTL1 | |
| SCHEMBL6982798 | 0.79 | L3MBTL1 (0.41) | CYP1A2CYP2A6PDE10AATML3MBTL1 | |
| SCHEMBL21951174 | 0.77 | CYP1A2 (0.44) | CYP1A2CYP2A6PDE10AATML3MBTL1 | |
| SCHEMBL3128182 | 0.77 | PDE10A (0.52) | CYP1A2CYP2A6PDE10AATML3MBTL1 | |
| SCHEMBL3129580 | 0.77 | SLC6A2 (0.44) | PDE10AATML3MBTL1TDP1ALDH1A1 | |
| SCHEMBL21031190 | 0.76 | PDE10A (0.52) | CYP1A2CYP2A6PDE10AATML3MBTL1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3209732-B1 | SPHINGOSINE-1-PHOSPATE RECEPTOR MODULATORS FOR TREATMENT OF CARDIOPULMONARY DISORDERS | SCRIPPS RESEARCH INST (US) | 2021-08-04 | — | — | EP | disclosed |